Information card for entry 8105349

Structure parameters

• Formula: C34 H22 B2 N2 O5
• Calculated formula: C34 H22 B2 N2 O5
• Title of publication: Crystal structure of 8a,8a′′-oxybis(8aH-8,9-dioxa-3a1λ4-aza-8aλ4-borabenzo[fg]tetracene), C34H22B2N2O5
• Authors of publication: Ding, Siyi; Ma, Qiang; Ren, Huaping; Miao, Zongcheng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 979 - 980
• a: 9.9886 ± 0.0003 Å
• b: 17.8995 ± 0.0006 Å
• c: 14.3437 ± 0.0005 Å
• α: 90°
• β: 98.141 ± 0.003°
• γ: 90°
• Cell volume: 2538.68 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No